The electronic structure of five antimony chalcogenides, SbI₃, Sb₂{Te}₃$, SbTeI, TlSb${S}₂$, and ${Tl}₃$Sb${S}₃$, is investigated. Information from x-ray diffraction, M\"ossbauer spectroscopy, electrical measurements, and photoemission spectroscopy is combined with band-structure calculations to get a coherent picture of these materials. The chemical notion of the asymmetry and delocalization of the 5s² antimony lone pair is given a quantitative interpretation both from the full band-structure calculation and from a simple molecular description.
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Lefebvre et al. (1987) studied this question.
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